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ASINEX-ZINC04299051

 MMsINC code: MMs00323474
Type: Neutral
Formula: C9H15N4+
SMILES:   [NH3+]C1CCN(CC1)c1ncccn1
InChI:   InChI=1/C9H14N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2/p+1

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Potential Energy
Epot(MMFF94)=-4.8382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.247 g/mol  logS: -1.03624  SlogP: -0.3127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0962226  Sterimol/B1: 2.63617  Sterimol/B2: 3.64213  Sterimol/B3: 3.64278
  Sterimol/B4: 3.87309  Sterimol/L: 12.3256 
 
 Surface and Volume Properties
  Accessible surface: 390.799  Positive charged surface: 346.381  Negative charged surface: 44.4182  Volume: 182.5
  Hydrophobic surface: 286.781  Hydrophilic surface: 104.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00323475
ASINEX-ZINC04299051